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Benzoic acid, 4-bromo-, 1-acetyl-5-[(4-bromobenzoyl)amino]-2-tridecyl-4-piperidinyl ester, [2R-(2.alpha.,4.beta.,5.beta.)]-
SpectraBase Compound ID 14kiaOR1FUM
InChI InChI=1S/C34H46Br2N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-30-23-32(42-34(41)27-17-21-29(36)22-18-27)31(24-38(30)25(2)39)37-33(40)26-15-19-28(35)20-16-26/h15-22,30-32H,3-14,23-24H2,1-2H3,(H,37,40)/t30-,31+,32-/m1/s1
InChIKey PVTIYQHPILMUEI-YKILCQELSA-N
Mol Weight 706.6 g/mol
Molecular Formula C34H46Br2N2O4
Exact Mass 704.182434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RHKxd9rM7M
Name Benzoic acid, 4-bromo-, 1-acetyl-5-[(4-bromobenzoyl)amino]-2-tridecyl-4-piperidinyl ester, [2R-(2.alpha.,4.beta.,5.beta.)]-
Alternate Name(s) (2R,4R,5S)-1-acetyl-5-[(4-bromobenzoyl)amino]-2-tridecylpiperidinyl 4-bromobenzoate 1-Acetyl-2-trideca-4-(p-bromobenzoyl)-5-(p-bromobenzoylamino)piperidine N1-acetyl-n5,o-bis(p-bromobenzoyl)tetrahydropseudodistomin A N1-acetyl-n5,o-bis(p-bromobenzoyl)tetrahydropseudodistomin B
CAS Registry Number 106231-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46Br2N2O4
InChI InChI=1S/C34H46Br2N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-30-23-32(42-34(41)27-17-21-29(36)22-18-27)31(24-38(30)25(2)39)37-33(40)26-15-19-28(35)20-16-26/h15-22,30-32H,3-14,23-24H2,1-2H3,(H,37,40)/t30-,31+,32-/m1/s1
InChIKey PVTIYQHPILMUEI-YKILCQELSA-N
Molecular Weight 706.560 g/mol
SMILES N([C@]1(CN([C@@](C[C@]1(OC(c1ccc(cc1)Br)=O)[H])(CCCCCCCCCCCCC)[H])C(=O)C)[H])C(c1ccc(cc1)Br)=O
SPLASH splash10-0a4i-0927030000-b97d74df783875c28c72
Source of Spectrum J-52-452-6
Wiley ID 1415147